Effect of Cross Sectional Geometry on Band Gap of Silicon Nanowires
The electronic properties of very thin Silicon nanowires of different shapes were studied by ab-initio method using the generalized gradient approximation. We consider four different shapes of nanowires viz triangular, rectangular, pentagonal and hexagonal wire. The geometry optimization and the band gap of all nanowires were investigated. SiNWs exhibiting different patterns at the cross section show significant difference in their band gaps indicating that the electronic structures of SiNWs are much more sensitive to surface modification and the change of cross section. The present study reveals that band gap of a nanowire depends on cross sectional geometry not on cross sectional area.
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Document Type: Research Article
Publication date: June 1, 2013
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